2-(4-aminobutanoylamino)-2-methylpentanoic acid

C10H20N2O3 — CID 61159882

IUPAC2-(4-aminobutanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLGDHBUPHUFDXDS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds7

About 2-(4-aminobutanoylamino)-2-methylpentanoic acid

2-(4-aminobutanoylamino)-2-methylpentanoic acid (PubChem CID 61159882) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-2-methylpentanoic acid
PubChem CID61159882
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(4-aminobutanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLGDHBUPHUFDXDS-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(4-aminobutanoylamino)-2-methylpentanoic acid (CID 61159882) is 2-(4-aminobutanoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(4-aminobutanoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(4-aminobutanoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)CCCN)C(=O)O.
What is the InChIKey of 2-(4-aminobutanoylamino)-2-methylpentanoic acid?
The InChIKey is LGDHBUPHUFDXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4-aminobutanoylamino)-2-methylpentanoic acid?
2-(4-aminobutanoylamino)-2-methylpentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 61159882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).